REMARK  Name = BDB007909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.460   1.986  -0.717  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1       -1.072   1.545  -1.897  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.381   0.194  -2.070  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.086  -0.731  -1.065  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.464  -0.299   0.108  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.158   1.051   0.285  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.092   3.439  -0.534  0.00  0.00    +0.155 C 
BRANCH   7   9
ATOM      8  O   LIG    1        2.012   4.196   0.394  0.00  0.00    -0.250 OA
ATOM      9  C   LIG    1        1.403   3.664  -0.525  0.00  0.00    +0.312 C 
BRANCH   9  10
ATOM     10  O   LIG    1        1.964   3.193  -1.674  0.00  0.00    -0.460 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.391   3.078  -1.652  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.776   1.759  -1.027  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        4.602   1.718   0.102  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        4.931   0.496   0.695  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.443  -0.709   0.167  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        3.610  -0.665  -0.960  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.285   0.556  -1.554  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.769  -2.025   0.828  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        5.983  -2.025   1.450  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        3.861  -2.365   1.784  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        4.803  -3.071  -0.045  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  S   LIG    1       -1.496  -2.451  -1.270  0.00  0.00    -0.120 S 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.283  -2.381  -0.879  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.553  -2.114   0.584  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1       -4.000  -0.877   1.092  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -4.126  -0.687   2.479  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.846  -1.723   3.368  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.432  -2.956   2.879  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.284  -3.149   1.504  0.00  0.00    +0.005 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.357   0.294   0.261  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -4.109   1.458   0.515  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.138  -0.041  -0.780  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -5.363   0.823  -1.183  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11